Wednesday, August 31, 2011

All Chemical Compounds Information




Product OPENEYE NAME: 1,5-dihydroxy-4,8-bis(methylamino)anthracene-9,10-dione
CAS Name: 1,5-dihydroxy-4,8-bis(methylamino)anthracene-9,10-dione
IUPAC NAME: 1,5-dihydroxy-4,8-bis(methylamino)anthracene-9,10-dione
SYSTEMATIC NAME: 1,5-bis(methylamino)-4,8-bis(oxidanyl)anthracene-9,10-dione
MOLECULAR FORMULA: C16H14N2O4
MOLECULAR WEIGHT: 298.29336
SMILES: CNC1=C2C(=C(C=C1)O)C(=O)C3=C(C=CC(=C3C2=O)O)NC
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Product OPENEYE NAME: (4-cyano-2,6-diiodo-phenyl) octanoate
CAS Name: octanoic acid (4-cyano-2,6-diiodophenyl) ester
IUPAC NAME: (4-cyano-2,6-diiodophenyl) octanoate
SYSTEMATIC NAME: [4-cyano-2,6-bis(iodanyl)phenyl] octanoate
MOLECULAR FORMULA: C15H17I2NO2
MOLECULAR WEIGHT: 497.10992
SMILES: CCCCCCCC(=O)OC1=C(C=C(C=C1I)C#N)I
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Product OPENEYE NAME: trisodium 4-[(4-anilino-5-sulfonato-1-naphthyl)azo]-5-hydroxy-naphthalene-2,7-disulfonate
CAS Name: trisodium 4-[(4-anilino-5-sulfonato-1-naphthalenyl)azo]-5-hydroxynaphthalene-2,7-disulfonate
IUPAC NAME: trisodium 4-[(4-anilino-5-sulfonatonaphthalen-1-yl)diazenyl]-5-hydroxynaphthalene-2,7-disulfonate
SYSTEMATIC NAME: trisodium 4-oxidanyl-5-[(4-phenylazanyl-5-sulfonato-naphthalen-1-yl)diazenyl]naphthalene-2,7-disulfonate
MOLECULAR FORMULA: C26H16N3Na3O10S3
MOLECULAR WEIGHT: 695.58365
SMILES: C1=CC=C(C=C1)NC2=C3C(=C(C=C2)N=NC4=C5C(=CC(=C4)S(=O)(=O)[O-])C=C(C=C5O)S(=O)(=O)[O-])C=CC=C3S(=O)(=O)[O-].[Na+].[Na+].[Na+]
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Product OPENEYE NAME: 4-[(4-anilino-5-sulfo-1-naphthyl)azo]-5-hydroxy-naphthalene-2,7-disulfonic acid
CAS Name: 4-[(4-anilino-5-sulfo-1-naphthalenyl)azo]-5-hydroxynaphthalene-2,7-disulfonic acid
IUPAC NAME: 4-[(4-anilino-5-sulfonaphthalen-1-yl)diazenyl]-5-hydroxynaphthalene-2,7-disulfonic acid
SYSTEMATIC NAME: 4-oxidanyl-5-[(4-phenylazanyl-5-sulfo-naphthalen-1-yl)diazenyl]naphthalene-2,7-disulfonic acid
MOLECULAR FORMULA: C26H19N3O10S3
MOLECULAR WEIGHT: 629.63816
SMILES: C1=CC=C(C=C1)NC2=C3C(=C(C=C2)N=NC4=C5C(=CC(=C4)S(=O)(=O)O)C=C(C=C5O)S(=O)(=O)O)C=CC=C3S(=O)(=O)O
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Product OPENEYE NAME: 6-chloro-1,3-dioxo-isoindoline-5-sulfonamide
CAS Name: 6-chloro-1,3-dioxo-5-isoindolesulfonamide
IUPAC NAME: 6-chloro-1,3-dioxoisoindole-5-sulfonamide
SYSTEMATIC NAME: 6-chloranyl-1,3-bis(oxidanylidene)isoindole-5-sulfonamide
MOLECULAR FORMULA: C8H5ClN2O4S
MOLECULAR WEIGHT: 260.6543
SMILES: C1=C2C(=CC(=C1S(=O)(=O)N)Cl)C(=O)NC2=O
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Product OPENEYE NAME: 2-allyl-6-chloro-1,3-dioxo-isoindoline-5-sulfonamide
CAS Name: 6-chloro-1,3-dioxo-2-prop-2-enyl-5-isoindolesulfonamide
IUPAC NAME: 6-chloro-1,3-dioxo-2-prop-2-enylisoindole-5-sulfonamide
SYSTEMATIC NAME: 6-chloranyl-1,3-bis(oxidanylidene)-2-prop-2-enyl-isoindole-5-sulfonamide
MOLECULAR FORMULA: C11H9ClN2O4S
MOLECULAR WEIGHT: 300.71816
SMILES: C=CCN1C(=O)C2=CC(=C(C=C2C1=O)Cl)S(=O)(=O)N
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Product OPENEYE NAME: 4-bis(3,4-dimethylphenyl)phosphoryl-1,2-dimethyl-benzene
CAS Name: 4-bis(3,4-dimethylphenyl)phosphoryl-1,2-dimethylbenzene
IUPAC NAME: 4-bis(3,4-dimethylphenyl)phosphoryl-1,2-dimethylbenzene
SYSTEMATIC NAME: 4-bis(3,4-dimethylphenyl)phosphoryl-1,2-dimethyl-benzene
MOLECULAR FORMULA: C24H27OP
MOLECULAR WEIGHT: 362.444341
SMILES: CC1=C(C=C(C=C1)P(=O)(C2=CC(=C(C=C2)C)C)C3=CC(=C(C=C3)C)C)C
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Product OPENEYE NAME: tris(2,4-dimethylphenyl) phosphate
CAS Name: phosphoric acid tris(2,4-dimethylphenyl) ester
IUPAC NAME: tris(2,4-dimethylphenyl) phosphate
SYSTEMATIC NAME: tris(2,4-dimethylphenyl) phosphate
MOLECULAR FORMULA: C24H27O4P
MOLECULAR WEIGHT: 410.442541
SMILES: CC1=CC(=C(C=C1)OP(=O)(OC2=C(C=C(C=C2)C)C)OC3=C(C=C(C=C3)C)C)C
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Product OPENEYE NAME: [2-[(17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] dihydrogen phosphate
CAS Name: [2-[(17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] dihydrogen phosphate
IUPAC NAME: [2-[(17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] dihydrogen phosphate
SYSTEMATIC NAME: [2-[(17R)-10,13-dimethyl-11,17-bis(oxidanyl)-3-oxidanylidene-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethyl] dihydrogen phosphate
MOLECULAR FORMULA: C21H31O8P
MOLECULAR WEIGHT: 442.439801
SMILES: CC12CCC(=O)C=C1CCC3C2C(CC4(C3CC[C@@]4(C(=O)COP(=O)(O)O)O)C)O
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Product OPENEYE NAME: 2-hydroxy-N-(2-hydroxyethyl)-3-isopropyl-6-methyl-benzamide
CAS Name: 2-hydroxy-N-(2-hydroxyethyl)-6-methyl-3-propan-2-ylbenzamide
IUPAC NAME: 2-hydroxy-N-(2-hydroxyethyl)-6-methyl-3-propan-2-ylbenzamide
SYSTEMATIC NAME: N-(2-hydroxyethyl)-6-methyl-2-oxidanyl-3-propan-2-yl-benzamide
MOLECULAR FORMULA: C13H19NO3
MOLECULAR WEIGHT: 237.29486
SMILES: CC1=C(C(=C(C=C1)C(C)C)O)C(=O)NCCO
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Product OPENEYE NAME: 3,3-dimethyl-7-oxo-6-[[2-(3-pyridyl)acetyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
CAS Name: 3,3-dimethyl-7-oxo-6-[[1-oxo-2-(3-pyridinyl)ethyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
IUPAC NAME: 3,3-dimethyl-7-oxo-6-[(2-pyridin-3-ylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
SYSTEMATIC NAME: 3,3-dimethyl-7-oxidanylidene-6-(2-pyridin-3-ylethanoylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
MOLECULAR FORMULA: C15H17N3O4S
MOLECULAR WEIGHT: 335.37818
SMILES: CC1(C(N2C(S1)C(C2=O)NC(=O)CC3=CN=CC=C3)C(=O)O)C
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Product OPENEYE NAME: 7-chloro-N-cyclopropyl-4-hydroxy-5-phenyl-3H-1,4-benzodiazepin-2-imine
CAS Name: 7-chloro-N-cyclopropyl-4-hydroxy-5-phenyl-3H-1,4-benzodiazepin-2-imine
IUPAC NAME: 7-chloro-N-cyclopropyl-4-hydroxy-5-phenyl-3H-1,4-benzodiazepin-2-imine
SYSTEMATIC NAME: 7-chloranyl-N-cyclopropyl-4-oxidanyl-5-phenyl-3H-1,4-benzodiazepin-2-imine
MOLECULAR FORMULA: C18H16ClN3O
MOLECULAR WEIGHT: 325.79214
SMILES: C1CC1N=C2CN(C(=C3C=C(C=CC3=N2)Cl)C4=CC=CC=C4)O
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